N-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine

C13H19N5S — CID 86786504

IUPACN-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine
SMILESCc1csc(N2CCC(Nc3cnn(C)c3)CC2)n1
InChIInChI=1S/C13H19N5S/c1-10-9-19-13(15-10)18-5-3-11(4-6-18)16-12-7-14-17(2)8-12/h7-9,11,16H,3-6H2,1-2H3
InChIKeySVMVNIIZNZHROK-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.27
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine

N-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine (PubChem CID 86786504) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine
PubChem CID86786504
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine
SMILESCc1csc(N2CCC(Nc3cnn(C)c3)CC2)n1
InChIInChI=1S/C13H19N5S/c1-10-9-19-13(15-10)18-5-3-11(4-6-18)16-12-7-14-17(2)8-12/h7-9,11,16H,3-6H2,1-2H3
InChIKeySVMVNIIZNZHROK-UHFFFAOYSA-N
XLogP2.27
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine (CID 86786504) is N-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine is Cc1csc(N2CCC(Nc3cnn(C)c3)CC2)n1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine?
The InChIKey is SVMVNIIZNZHROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-10-9-19-13(15-10)18-5-3-11(4-6-18)16-12-7-14-17(2)8-12/h7-9,11,16H,3-6H2,1-2H3.
What are the key properties of N-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine?
N-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine has a molecular weight of 277.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 86786504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).